3-(8-bromo-2-oxo-1H-quinolin-3-yl)-2,2-dimethylpropanoic acid

C14H14BrNO3 — CID 84646116

IUPAC3-(8-bromo-2-oxo-1H-quinolin-3-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1cc2cccc(Br)c2[nH]c1=O)C(=O)O
InChIInChI=1S/C14H14BrNO3/c1-14(2,13(18)19)7-9-6-8-4-3-5-10(15)11(8)16-12(9)17/h3-6H,7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyXNJNNMOZOLJUTP-UHFFFAOYSA-N
MW324.17 g/mol
LogP2.94
Rot. Bonds3

About 3-(8-bromo-2-oxo-1H-quinolin-3-yl)-2,2-dimethylpropanoic acid

3-(8-bromo-2-oxo-1H-quinolin-3-yl)-2,2-dimethylpropanoic acid (PubChem CID 84646116) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is 3-(8-bromo-2-oxo-1H-quinolin-3-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(8-bromo-2-oxo-1H-quinolin-3-yl)-2,2-dimethylpropanoic acid
PubChem CID84646116
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name3-(8-bromo-2-oxo-1H-quinolin-3-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1cc2cccc(Br)c2[nH]c1=O)C(=O)O
InChIInChI=1S/C14H14BrNO3/c1-14(2,13(18)19)7-9-6-8-4-3-5-10(15)11(8)16-12(9)17/h3-6H,7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyXNJNNMOZOLJUTP-UHFFFAOYSA-N
XLogP2.94
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-(2-oxo-1H-quinolin-3-yl)propanoic acid
CID 84631810
3-(8-bromo-1-methyl-2-oxoquinolin-3-yl)-2,2-dimethylpropanoic acid
CID 84646654
2,2-dimethyl-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid
CID 84637709
3,8-dibromo-1H-quinolin-2-one
CID 91465059
8-bromo-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-quinolin-2-one
CID 166457904
N-tert-butyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331121
N-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 941828
3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354
8-ethyl-3-(3-oxobutyl)-1H-quinolin-2-one
CID 84630854
8-chloro-3-(2-hydroxyethyl)-1H-quinolin-2-one
CID 12910805
3-butyl-8-hydroxy-1H-quinolin-2-one
CID 160626954
2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide
CID 3447208

Frequently Asked Questions

What is the IUPAC name of 3-(8-bromo-2-oxo-1H-quinolin-3-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(8-bromo-2-oxo-1H-quinolin-3-yl)-2,2-dimethylpropanoic acid (CID 84646116) is 3-(8-bromo-2-oxo-1H-quinolin-3-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(8-bromo-2-oxo-1H-quinolin-3-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(8-bromo-2-oxo-1H-quinolin-3-yl)-2,2-dimethylpropanoic acid is CC(C)(Cc1cc2cccc(Br)c2[nH]c1=O)C(=O)O.
What is the InChIKey of 3-(8-bromo-2-oxo-1H-quinolin-3-yl)-2,2-dimethylpropanoic acid?
The InChIKey is XNJNNMOZOLJUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c1-14(2,13(18)19)7-9-6-8-4-3-5-10(15)11(8)16-12(9)17/h3-6H,7H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-(8-bromo-2-oxo-1H-quinolin-3-yl)-2,2-dimethylpropanoic acid?
3-(8-bromo-2-oxo-1H-quinolin-3-yl)-2,2-dimethylpropanoic acid has a molecular weight of 324.17 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-bromo-2-oxo-1H-quinolin-3-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 84646116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).